Compound Identification
SMILES
BrC1=CC=C(N\N=C(\C#N)C2=NC(=CS2)C2=CC3=C(OCO3)C=C2)C=C1
InChIKey
InChIKey=UYCTWEXBAMSTOG-UCQKPKSFSA-N
Formula
C18H11BrN4O2S
Mass
427.28
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzodioxoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzodioxoles
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzodioxoles
Alternative Parents
Phenylhydrazines Bromobenzenes 2,4-disubstituted thiazoles Aryl bromides Heteroaromatic compounds Oxacyclic compounds Nitriles Hydrazones Azacyclic compounds Acetals Organopnictogen compounds Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodioxole - Phenylhydrazine - 2,4-disubstituted 1,3-thiazole - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Thiazole - Acetal - Oxacycle - Azacycle - Hydrazone - Carbonitrile - Nitrile - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organopnictogen compound - Cyanide - Organohalogen compound - Organobromide - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzodioxoles. These are organic compounds containing a benzene ring fused to either isomers of dioxole. Dioxole is a five-membered unsaturated ring of two oxygen atoms and three carbon atoms.
External Descriptors
Not available